SCHEMBL5733508

SCHEMBL5733508

CCCCCCCCCCCCCCOC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.50
FAAH O00519 1/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TGM2 P21980 1/20 0.48
MBOAT4 Q96T53 1/20 0.47
TPSAB1 Q15661 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23567825 0.95 L3MBTL1 (0.58) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL16839107 0.89 LMNA (0.57) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL24096077 0.88 NPC1 (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL28008974 0.85 HTT (0.59) SMN1; SMN2LMNAL3MBTL1ALDH1A1TSHR
SCHEMBL26958103 0.85 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL16111718 0.85 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL23568002 0.84 HTT (0.56) SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL12516501 0.83 LMNA (0.54) SMN1; SMN2RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL28003839 0.83 ALDH1A1 (0.60) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL3231538 0.83 PPID (0.64) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933379-B1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO (JP) 2006-03-22 EP disclosed
CN-1214040-C Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 2005-08-10 CN disclosed
US-6319902-B1 TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT SHIONOGI & CO., LTD. (JP) 2001-11-20 US disclosed
CN-1235610-A Peptide derivatives having thiazolyl-alanine residues SHIONOGI & CO (JP) 1999-11-17 CN disclosed
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 EP disclosed